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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196686

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1196686
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Cs', 'U', 'Pd', 'S']
  • Chemical System: Cs-Pd-S-U
  • Density: 6.369290676357
  • Atomic Density: 0.0417426813866971
  • Unit Cell Volume: 1389.4651247412178
  • Molar Volume: 14.426818210866504
  • Full Formula: Cs4 U12 Pd8 S34
  • Reduced Formula: Cs2U6Pd4S17
  • Formula Anonymous: A2B4C6D17
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -405.38260662
  • Final energy per atom: -6.989355286551724
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.